Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c2c(c(NC1CCC(C)N(C(=O)CC)C1)ncn2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C15H21N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h6-7,9-11H,3-5,8H2,1-2H3,(H2,16,17,18,19)/t10-,11+/m0/s1 |
InChIKey | InChI | 1.03 | VCTGEVNTYUYDAZ-WDEREUQCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1C[C@@H](CC[C@@H]1C)Nc2ncnc3[nH]ccc23 |
SMILES | CACTVS | 3.385 | CCC(=O)N1C[CH](CC[CH]1C)Nc2ncnc3[nH]ccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1C[C@@H](CC[C@@H]1C)Nc2c3cc[nH]c3ncn2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CC(CCC1C)Nc2c3cc[nH]c3ncn2 |